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9QLM
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BU of 9qlm by Molmil
Solution structure of the TAF3-PHD bound to a H3K4me3Q5ser histone tail peptide with a serotonylated glutamine
Descriptor: Histone H3.1, SEROTONIN, Transcription initiation factor TFIID subunit 3, ...
Authors:van Ingen, H, Gielingh, H, Pulido-Cortes, L, Thijssen, V, Timmers, H.Th.M, Jongkees, S, Honorato, R.V, Bonvin, A.M.J.J, Liu, M, Yoshisada, R, Soares, L.R.
Deposit date:2025-03-21
Release date:2025-05-14
Method:SOLUTION NMR
Cite:Molecular determinants for recognition of serotonylated chromatin
To Be Published
9EL8
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BU of 9el8 by Molmil
LSD1-CoREST in complex with T105 1S2R enantiomer
Descriptor: 3-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide, Lysine-specific histone demethylase 1A, REST corepressor 1, ...
Authors:Caroli, J, Mattevi, A.
Deposit date:2024-12-04
Release date:2025-02-05
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
to be published
9ELA
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BU of 9ela by Molmil
LSD1-CoREST in complex with T108, long soaking
Descriptor: Lysine-specific histone demethylase 1A, REST corepressor 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(1R,3R,3aS,13R)-1-hydroxy-10,11-dimethyl-4,6-dioxo-3-[3-(phenylcarbamoyl)phenyl]-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]pentyl dihydrogen diphosphate
Authors:Caroli, J, Mattevi, A.
Deposit date:2024-12-04
Release date:2025-02-05
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
to be published
9EL7
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BU of 9el7 by Molmil
LSD1-CoREST in complex with T105 enantiomer (1R,2S)
Descriptor: Lysine-specific histone demethylase 1A, REST corepressor 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S,3S,4R)-5-[(4aS)-7,8-dimethyl-4a-[(1R)-1-{3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl}-3-oxopropyl]-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)
Authors:Caroli, J, Mattevi, A.
Deposit date:2024-12-04
Release date:2025-02-05
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
to be published
9GP4
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BU of 9gp4 by Molmil
Jumonji domain-containing protein 2A with crystallization epitope mutations Q953E:A958D
Descriptor: 1,2-ETHANEDIOL, Lysine-specific demethylase 4A, SULFATE ION
Authors:Fairhead, M, Strain-Damerell, C, Ye, M, Mackinnon, S.R, Pinkas, D, MacLean, E.M, Koekemoer, L, Damerell, D, Krojer, T, Arrowsmith, C.H, Edwards, A, Bountra, C, Yue, W, Burgess-Brown, N, Marsden, B, von Delft, F, Structural Genomics Consortium (SGC)
Deposit date:2024-09-06
Release date:2024-10-16
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:A fast, parallel method for efficiently exploring crystallization behaviour of large numbers of protein variants
To be published
9GII
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BU of 9gii by Molmil
Jumonji domain-containing protein 2A with crystallization epitope mutation R913A
Descriptor: GLYCEROL, Lysine-specific demethylase 4A, SULFATE ION
Authors:Fairhead, M, Strain-Damerell, C, Ye, M, Mackinnon, S.R, Pinkas, D, MacLean, E.M, Koekemoer, L, Damerell, D, Krojer, T, Arrowsmith, C.H, Edwards, A, Bountra, C, Yue, W, Burgess-Brown, N, Marsden, B, von Delft, F, Structural Genomics Consortium (SGC)
Deposit date:2024-08-19
Release date:2024-09-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A fast, parallel method for efficiently exploring crystallization behaviour of large numbers of protein variants
To be published
9GD2
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BU of 9gd2 by Molmil
Structure of Chd1 bound to a dinucleosome with a dyad-to-dyad distance of 103 bp.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Chromo domain-containing protein 1, ...
Authors:Engeholm, M, Roske, J.J, Oberbeckmann, E, Dienemann, C, Lidschreiber, M, Cramer, P, Farnung, L.
Deposit date:2024-08-04
Release date:2024-09-18
Last modified:2024-10-02
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Resolution of transcription-induced hexasome-nucleosome complexes by Chd1 and FACT.
Mol.Cell, 84, 2024
9GD1
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BU of 9gd1 by Molmil
Structure of Chd1 bound to a hexasome-nucleosome complex with a dyad-to-dyad distance of 103 bp.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Chromo domain-containing protein 1, ...
Authors:Engeholm, M, Roske, J.J, Oberbeckmann, E, Dienemann, C, Lidschreiber, M, Cramer, P, Farnung, L.
Deposit date:2024-08-04
Release date:2024-09-18
Last modified:2024-10-02
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Resolution of transcription-induced hexasome-nucleosome complexes by Chd1 and FACT.
Mol.Cell, 84, 2024
9GD3
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BU of 9gd3 by Molmil
Structure of a mononucleosome bound by one copy of Chd1 with the DBD on the exit-side DNA.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Chromo domain-containing protein 1, ...
Authors:Engeholm, M, Roske, J.J, Oberbeckmann, E, Dienemann, C, Lidschreiber, M, Cramer, P, Farnung, L.
Deposit date:2024-08-04
Release date:2024-09-18
Last modified:2024-10-02
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Resolution of transcription-induced hexasome-nucleosome complexes by Chd1 and FACT.
Mol.Cell, 84, 2024
9FWG
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BU of 9fwg by Molmil
LSD1/CoREST bound to bomedemstat
Descriptor: Bomedemstat FAD adduct, Lysine-specific histone demethylase 1A, REST corepressor 1
Authors:Speranzini, V, Mattevi, A.
Deposit date:2024-06-30
Release date:2024-07-10
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Characterization of structural, biochemical, pharmacokinetic, and pharmacodynamic properties of the LSD1 inhibitor bomedemstat in preclinical models.
Prostate, 84, 2024
9C0O
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BU of 9c0o by Molmil
Crystal structure of DmCfp1 PHD finger bound to H3K4me3
Descriptor: CXXC-type zinc finger protein 1, DIMETHYL SULFOXIDE, Histone H3.3C, ...
Authors:Gregoire, S, Couture, J.F.
Deposit date:2024-05-27
Release date:2024-07-03
Last modified:2024-09-25
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Structural insights into an atypical histone binding mechanism by a PHD finger.
Structure, 32, 2024
8VOB
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BU of 8vob by Molmil
H3K36me3-modified nucleosome bound to PRC2_AJ1-450
Descriptor: DNA (157-MER), Histone H2A type 1, Histone H2B 1.1, ...
Authors:Cookis, T, Nogales, E.
Deposit date:2024-01-14
Release date:2025-01-15
Last modified:2025-03-05
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis for the inhibition of PRC2 by active transcription histone posttranslational modifications.
Nat.Struct.Mol.Biol., 32, 2025
8VNZ
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BU of 8vnz by Molmil
PRC2_AJ1-450 bound to H3K36me3-modified nucleosome with histone H3 tail disengaged
Descriptor: Histone-binding protein RBBP4, Histone-lysine N-methyltransferase EZH2, Isoform 3 of Zinc finger protein AEBP2, ...
Authors:Cookis, T, Nogales, E.
Deposit date:2024-01-14
Release date:2025-01-15
Last modified:2025-05-14
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural basis for the inhibition of PRC2 by active transcription histone posttranslational modifications.
Nat.Struct.Mol.Biol., 32, 2025
8VO0
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BU of 8vo0 by Molmil
H3K36me3-modified nucleosome bound to PRC2_AJ1-450 with histone H3 tail disengaged
Descriptor: DNA (157-MER), Histone H2A, Histone H2B 1.1, ...
Authors:Cookis, T, Nogales, E.
Deposit date:2024-01-14
Release date:2025-01-22
Last modified:2025-03-05
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis for the inhibition of PRC2 by active transcription histone posttranslational modifications.
Nat.Struct.Mol.Biol., 32, 2025
8VMJ
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BU of 8vmj by Molmil
H3K4me3 nucleosome bound to PRC2_AJ119-450
Descriptor: DNA (157-MER), Histone H2A, Histone H2B, ...
Authors:Cookis, T, Nogales, E.
Deposit date:2024-01-13
Release date:2025-01-15
Last modified:2025-03-05
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis for the inhibition of PRC2 by active transcription histone posttranslational modifications.
Nat.Struct.Mol.Biol., 32, 2025
8VML
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BU of 8vml by Molmil
PRC2_AJ1-450 bound to H3K4me3
Descriptor: AEPB2, EED, EZH2, ...
Authors:Cookis, T, Nogales, E.
Deposit date:2024-01-13
Release date:2025-01-15
Last modified:2025-03-05
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural basis for the inhibition of PRC2 by active transcription histone posttranslational modifications.
Nat.Struct.Mol.Biol., 32, 2025
8VMI
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BU of 8vmi by Molmil
PRC2_AJ119-450 bound to H3K4me3
Descriptor: EZH2, Histone H3.1, Histone H3.1t, ...
Authors:Cookis, T, Nogales, E.
Deposit date:2024-01-13
Release date:2025-01-15
Last modified:2025-05-28
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis for the inhibition of PRC2 by active transcription histone posttranslational modifications.
Nat.Struct.Mol.Biol., 32, 2025
8VMN
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BU of 8vmn by Molmil
H3K4me3 nucleosome bound to PRC2_AJ1-450
Descriptor: DNA (157-MER), Histone H2A, Histone H2B, ...
Authors:Cookis, T, Nogales, E.
Deposit date:2024-01-13
Release date:2025-01-22
Last modified:2025-03-05
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural basis for the inhibition of PRC2 by active transcription histone posttranslational modifications.
Nat.Struct.Mol.Biol., 32, 2025
8VNV
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BU of 8vnv by Molmil
PRC2_AJ1-450 bound to H3K36me3 with histone H3 tail engaged
Descriptor: DNA (26-MER), DNA (26-mer), EED, ...
Authors:Cookis, T, Nogales, E.
Deposit date:2024-01-13
Release date:2025-01-22
Last modified:2025-03-05
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis for the inhibition of PRC2 by active transcription histone posttranslational modifications.
Nat.Struct.Mol.Biol., 32, 2025
8VLF
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BU of 8vlf by Molmil
Crystal structure of Ash1L PHD finger in complex with histone H3K4me3
Descriptor: Histone H3.3C, Histone-lysine N-methyltransferase ASH1L, ZINC ION
Authors:Vann, K.R, Kutateladze, T.G.
Deposit date:2024-01-11
Release date:2025-03-19
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Structure-function relationship of ASH1L and histone H3K36 and H3K4 methylation.
Nat Commun, 16, 2025
8VLD
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BU of 8vld by Molmil
Crystal structure of Ash1L PHD finger in complex with histone H3K4me2
Descriptor: Histone H3.3C, Histone-lysine N-methyltransferase ASH1L, ZINC ION
Authors:Vann, K.R, Kutateladze, T.G.
Deposit date:2024-01-11
Release date:2025-03-19
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structure-function relationship of ASH1L and histone H3K36 and H3K4 methylation.
Nat Commun, 16, 2025
8VLH
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BU of 8vlh by Molmil
Crystal structure of Ash1L PHD-BAH domains
Descriptor: Histone-lysine N-methyltransferase ASH1L, STRONTIUM ION, ZINC ION
Authors:Vann, K.R, Tencer, A.H, Kutateladze, T.G.
Deposit date:2024-01-11
Release date:2025-03-19
Method:X-RAY DIFFRACTION (2.403 Å)
Cite:Structure-function relationship of ASH1L and histone H3K36 and H3K4 methylation.
Nat Commun, 16, 2025
8UOM
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BU of 8uom by Molmil
LSD1-CoREST with N-formyl-FAD in complex with H3dimeK4 histone tail
Descriptor: Histone H3 (Fragment), Lysine-specific histone demethylase 1A, REST corepressor 1, ...
Authors:Caroli, J, Mattevi, A.
Deposit date:2023-10-20
Release date:2025-02-05
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
To Be Published
8UNI
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BU of 8uni by Molmil
LSD1-CoREST with N-formyl-FAD in complex with H3K4M histone tail
Descriptor: Histone H3 (Fragment), Lysine-specific histone demethylase 1A, REST corepressor 1, ...
Authors:Caroli, J, Mattevi, A.
Deposit date:2023-10-19
Release date:2025-02-05
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
To Be Published
8UMQ
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BU of 8umq by Molmil
LSD1-CoREST in complex with T18, long soaking
Descriptor: Lysine-specific histone demethylase 1A, REST corepressor 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-[(1R,3S,3aS,13R)-3-(3-benzamidophenyl)-1-hydroxy-10,11-dimethyl-4,6-dioxo-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)
Authors:Caroli, J, Mattevi, A.
Deposit date:2023-10-18
Release date:2025-02-05
Method:X-RAY DIFFRACTION (3.26 Å)
Cite:Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
To Be Published

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PDB entries from 2025-07-09

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